Amyloid-β/Drug Interactions from Computer Simulations and Cell-Based Assays

Phuong H. Nguyen, Maria P. Del Castillo-frias, Olivia Berthoumieux, Peter Faller, Andrew J. Doig, Philippe Derreumaux, G. Perry (Editor), J. Avila, P.i. Moreira, A.a. Sorensen (Editor), M. Tabaton (Editor)

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    Targeting the early oligomers formed by the amyloid-β (Aβ) peptide of 40 and 42 amino acids is considered one promising therapeutic approach for Alzheimer’s disease (AD). In vitro experiments and computer simulations are often used in synergy to reveal the modes of interactions of drugs. In this account, we present our contribution to understanding how small molecules bind to Aβ40/Aβ42 peptides, based either on extensive coarse-grained and all-atom simulations, or a variety of experimental techniques. We conclude by offering several perspectives on the future of this field to design more efficient drugs.
    Original languageEnglish
    Pages (from-to)S659-S672
    JournalJournal of Alzheimer's Disease
    Issue numbers1
    Publication statusPublished - 12 Jun 2018


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